benzyl N-(cycloheptylideneamino)carbamate

C15H20N2O2 — CID 67304031

IUPACbenzyl N-(cycloheptylideneamino)carbamate
SMILESO=C(NN=C1CCCCCC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-13-8-4-3-5-9-13)17-16-14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyPINZKZMIQSRSML-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.62
Rot. Bonds3

About benzyl N-(cycloheptylideneamino)carbamate

benzyl N-(cycloheptylideneamino)carbamate (PubChem CID 67304031) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl N-(cycloheptylideneamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(cycloheptylideneamino)carbamate
PubChem CID67304031
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl N-(cycloheptylideneamino)carbamate
SMILESO=C(NN=C1CCCCCC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-13-8-4-3-5-9-13)17-16-14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyPINZKZMIQSRSML-UHFFFAOYSA-N
XLogP3.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(cycloheptylideneamino)carbamate?
The IUPAC name of benzyl N-(cycloheptylideneamino)carbamate (CID 67304031) is benzyl N-(cycloheptylideneamino)carbamate.
What is the SMILES notation for benzyl N-(cycloheptylideneamino)carbamate?
The canonical SMILES for benzyl N-(cycloheptylideneamino)carbamate is O=C(NN=C1CCCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(cycloheptylideneamino)carbamate?
The InChIKey is PINZKZMIQSRSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19-12-13-8-4-3-5-9-13)17-16-14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2,(H,17,18).
What are the key properties of benzyl N-(cycloheptylideneamino)carbamate?
benzyl N-(cycloheptylideneamino)carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(cycloheptylideneamino)carbamate is sourced from PubChem (CID 67304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).